5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C23H19ClN4O — CID 23151639

IUPAC5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(Cl)n2nc(C(C)OCc3ccccc3)nc2c1C#N
InChIInChI=1S/C23H19ClN4O/c1-15-19(13-25)23-26-22(16(2)29-14-17-9-5-3-6-10-17)27-28(23)21(24)20(15)18-11-7-4-8-12-18/h3-12,16H,14H2,1-2H3
InChIKeyWOVTYIMLQOQISK-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.51
Rot. Bonds5

About 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 23151639) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID23151639
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(Cl)n2nc(C(C)OCc3ccccc3)nc2c1C#N
InChIInChI=1S/C23H19ClN4O/c1-15-19(13-25)23-26-22(16(2)29-14-17-9-5-3-6-10-17)27-28(23)21(24)20(15)18-11-7-4-8-12-18/h3-12,16H,14H2,1-2H3
InChIKeyWOVTYIMLQOQISK-UHFFFAOYSA-N
XLogP5.51
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151473
6-butyl-5-chloro-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151572
2-[1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-yl]-7-methyl-5-oxo-6-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151542
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630670
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
2-benzylsulfanyl-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 87084371
1-chloro-2-(3-methoxyphenyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 86598233
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 91251036
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 23151639) is 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is Cc1c(-c2ccccc2)c(Cl)n2nc(C(C)OCc3ccccc3)nc2c1C#N.
What is the InChIKey of 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is WOVTYIMLQOQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-15-19(13-25)23-26-22(16(2)29-14-17-9-5-3-6-10-17)27-28(23)21(24)20(15)18-11-7-4-8-12-18/h3-12,16H,14H2,1-2H3.
What are the key properties of 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 402.89 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-6-phenyl-2-(1-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).